SCHEMBL29645843

SCHEMBL29645843

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccccc3O)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 9/20 0.41
POLB P06746 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADK P55263 1/20 0.38
ALK Q9UM73 2/20 0.38
NTRK1 P04629 1/20 0.38
GAA P10253 1/20 0.38
HCRTR1 O43613 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 2/20 0.36
HPGD P15428 2/20 0.36
GUSB P08236 1/20 0.36
RAD52 P43351 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29645533 0.88 MAPT (0.41) KMT2AMAPTPOLBNPSR1ADK
SCHEMBL29645527 0.88 MAPT (0.41) MAPTPOLBADKTP53
SCHEMBL29645430 0.88 NPC1 (0.48) KMT2AMEN1MAPTPOLBADK
SCHEMBL29645636 0.88 MAPT (0.47) KMT2AMEN1MAPTPOLBADK
SCHEMBL29645608 0.87 MAPT (0.40) KMT2AMAPTPOLBADKGAA
SCHEMBL29645760 0.86 MAPT (0.56) KMT2AMAPTPOLBGAAHCRTR1
SCHEMBL29646071 0.86 MAPT (0.45) MAPTPOLBADKADORA3ADORA1
SCHEMBL29645834 0.85 ADORA3 (0.49) KMT2AMAPTPOLBGAAHCRTR1
SCHEMBL29645894 0.85 KDM1A (0.40) KMT2AMAPTPOLBADKHCRTR1
SCHEMBL29646060 0.85 TP53 (0.47) KMT2AMEN1MAPTPOLBNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed